SCHEMBL3454191

SCHEMBL3454191

COc1cc[nH]c(=O)c1-c1nc(C)c(C(=O)NCc2cccnc2)s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
SCD O00767 11/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
CHRM4 P08173 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
CYP2C19 P33261 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3454229 0.90 SCD (0.55) SCD
SCHEMBL3454462 0.90 SCD (0.51) SCDCHRM4
SCHEMBL3454978 0.88 SCD (0.50) SCD
SCHEMBL3455523 0.87 SCD (0.54) SCDALDH1A1
SCHEMBL3454672 0.86 SCD (0.53) SCDCHRM4
SCHEMBL3455692 0.85 SCD (0.52) SCDCHRM4
SCHEMBL3454785 0.84 SCD (0.43) SCDCHRM4
SCHEMBL3455045 0.83 SCD (0.57) SCDL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL3456453 0.82 SCD (0.54) SCDCHRM4
SCHEMBL3455615 0.82 SCD (0.52) SCDCHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed